4-[[6-[(3-bromophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[[6-[(3-bromophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[[6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[6-(3-bromoanilino)-5-nitro-4-pyrimidinyl]amino]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[[6-(3-bromoanilino)-5-nitropyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[[6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Formula: C20H21BrN6O4S MolecularWeight: 521.38754

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H21BrN6O4S/c1-3-26(4-2)32(30,31)17-10-8-15(9-11-17)24-19-18(27(28)29)20(23-13-22-19)25-16-7-5-6-14(21)12-16/h5-13H,3-4H2,1-2H3,(H2,22,23,24,25)